(1-phenethylpiperidin-4-yl) 3,4,5-trimethoxybenzoate hydrochloride

Systemtic Name: (1-phenethylpiperidin-4-yl) 3,4,5-trimethoxybenzoate hydrochloride Openeye Name: (1-phenethyl-4-piperidyl) 3,4,5-trimethoxybenzoate hydrochloride CAS Name: 3,4,5-trimethoxybenzoic acid (1-phenethyl-4-piperidinyl) ester hydrochloride IUPAC Name: (1-phenethylpiperidin-4-yl) 3,4,5-trimethoxybenzoate hydrochloride Traditional Name: 3,4,5-trimethoxybenzoic acid (1-phenethyl-4-piperidyl) ester hydrochloride Formula: C23H30ClNO5 MolecularWeight: 435.941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2CCN(CC2)CCC3=CC=CC=C3.Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2CCN(CC2)CCC3=CC=CC=C3.Cl

InChI

InChI=1S/C23H29NO5.ClH/c1-26-20-15-18(16-21(27-2)22(20)28-3)23(25)29-19-10-13-24(14-11-19)12-9-17-7-5-4-6-8-17;/h4-8,15-16,19H,9-14H2,1-3H3;1H